7JRX
Crystal structure of the R64F mutant of Bauhinia Bauhinioides complexed with Bovine Chymotrypsin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 60.018, 60.693, 425.535 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 71.020 - 1.770 |
R-factor | 0.1761 |
Rwork | 0.175 |
R-free | 0.20800 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.660 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.110 | 1.800 |
High resolution limit [Å] | 1.770 | 1.770 |
Number of reflections | 73379 | 2276 |
<I/σ(I)> | 12.4 | |
Completeness [%] | 95.0 | |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% PEG3350, 0.2M Ammonium Acetate at pH 6.5 |